pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.89	IUPAC digitized pKa	0	-1	Nc1nc(N)c2ncc(=O)[nH]c2n1	Nc1nc(N)c2ncc(=O)[n-]c2n1	mol8129	Nc1nc(N)c2ncc(=O)[nH]c2n1
2.74	IUPAC digitized pKa	1	0	Nc1nc(N)c2ncc(=O)[nH]c2[nH+]1,Nc1nc2[nH]c(=O)cnc2c(N)[nH+]1,Nc1nc([NH3+])c2ncc(=O)[nH]c2n1,Nc1nc([NH3+])nc2[nH]c(=O)cnc12,Nc1nc(N)c2[nH+]cc(=O)[nH]c2n1	Nc1nc(N)c2ncc(=O)[nH]c2n1	mol8129	Nc1nc(N)c2ncc(=O)[nH]c2n1